4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile

C12H10Cl2N2O2 — CID 78945567

IUPAC4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C12H10Cl2N2O2/c13-10-2-1-8(5-11(10)14)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2
InChIKeyBTKNIZYWSKPIAM-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.36
Rot. Bonds1

About 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile

4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile (PubChem CID 78945567) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
PubChem CID78945567
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C12H10Cl2N2O2/c13-10-2-1-8(5-11(10)14)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2
InChIKeyBTKNIZYWSKPIAM-UHFFFAOYSA-N
XLogP2.36
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
CID 78945959
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile
CID 78946024
4-(3-chloro-5-methylbenzoyl)morpholine-2-carbonitrile
CID 81005565
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 80644121
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
CID 79674643

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile (CID 78945567) is 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile?
The InChIKey is BTKNIZYWSKPIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c13-10-2-1-8(5-11(10)14)12(17)16-3-4-18-9(6-15)7-16/h1-2,5,9H,3-4,7H2.
What are the key properties of 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile?
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile has a molecular weight of 285.13 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).